11-oxidanylidene-11-phenylmethoxy-1-(phenylmethyl)undecane-1,1,10-tricarboxylate

Systemtic Name: 11-oxidanylidene-11-phenylmethoxy-1-(phenylmethyl)undecane-1,1,10-tricarboxylate Openeye Name: 1-benzyl-11-benzyloxy-11-oxo-undecane-1,1,10-tricarboxylate CAS Name: 11-oxo-11-phenylmethoxy-1-(phenylmethyl)undecane-1,1,10-tricarboxylate IUPAC Name: 1-benzyl-11-oxo-11-phenylmethoxyundecane-1,1,10-tricarboxylate Traditional Name: 11-benzoxy-1-benzyl-11-keto-undecane-1,1,10-tricarboxylate Formula: C28H31O8-3 MolecularWeight: 495.54094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCCCCCCCC(C(=O)[O-])C(=O)OCC2=CC=CC=C2)(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(CCCCCCCCC(C(=O)[O-])C(=O)OCC2=CC=CC=C2)(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C28H34O8/c29-24(30)23(25(31)36-20-22-15-9-6-10-16-22)17-11-3-1-2-4-12-18-28(26(32)33,27(34)35)19-21-13-7-5-8-14-21/h5-10,13-16,23H,1-4,11-12,17-20H2,(H,29,30)(H,32,33)(H,34,35)/p-3